N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide

C28H37N3O3 — CID 130300468

IUPACN-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCC(C(=O)NC3CCC(O)CC3)CC2)n2cncc21
InChIInChI=1S/C28H37N3O3/c1-18-25-16-29-17-31(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)30-22-11-13-23(32)14-12-22/h2-6,16-17,19,21-24,26,32-33H,7-15H2,1H3,(H,30,34)
InChIKeyLENYRWPRVGHWQN-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.35
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide

N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 130300468) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID130300468
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1=C(c2ccccc2)C(CC(O)C2CCC(C(=O)NC3CCC(O)CC3)CC2)n2cncc21
InChIInChI=1S/C28H37N3O3/c1-18-25-16-29-17-31(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)30-22-11-13-23(32)14-12-22/h2-6,16-17,19,21-24,26,32-33H,7-15H2,1H3,(H,30,34)
InChIKeyLENYRWPRVGHWQN-UHFFFAOYSA-N
XLogP4.35
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 130300468) is N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide is CC1=C(c2ccccc2)C(CC(O)C2CCC(C(=O)NC3CCC(O)CC3)CC2)n2cncc21.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is LENYRWPRVGHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-18-25-16-29-17-31(25)24(27(18)20-5-3-2-4-6-20)15-26(33)19-7-9-21(10-8-19)28(34)30-22-11-13-23(32)14-12-22/h2-6,16-17,19,21-24,26,32-33H,7-15H2,1H3,(H,30,34).
What are the key properties of N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-[1-hydroxy-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 130300468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).